3VJO
| Crystal structure of the wild-type EGFR kinase domain in complex with AMPPNP. | Descriptor: | Epidermal growth factor receptor, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Semba, K, Yamamoto, T, Yokoyama, S. | Deposit date: | 2011-10-27 | Release date: | 2012-03-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor. Oncogene, 32, 2013
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3W0T
| Human Glyoxalase I with an N-hydroxypyridone derivative inhibitor | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lactoylglutathione lyase, N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide, ... | Authors: | Fukami, T.A, Irie, M, Matsuura, T. | Deposit date: | 2012-11-02 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.351 Å) | Cite: | N-Hydroxypyridone-based glyoxalase I inhibitors mimicking binding interactions of the substrate To be Published
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3VW9
| Human Glyoxalase I with an N-hydroxypyridone inhibitor | Descriptor: | 1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lactoylglutathione lyase, ... | Authors: | Fukami, T.A, Irie, M, Matsuura, T. | Deposit date: | 2012-08-10 | Release date: | 2012-12-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Design and evaluation of azaindole-substituted N-hydroxypyridones as glyoxalase I inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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3W0U
| human Glyoxalase I with an N-hydroxypyridone inhibitor | Descriptor: | Lactoylglutathione lyase, N-[3-(1-Hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide, ZINC ION | Authors: | Fukami, T.A, Irie, M, Matsuura, T. | Deposit date: | 2012-11-02 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | N-Hydroxypyridone-based glyoxalase I inhibitors mimicking binding interactions of the substrate to be published
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3VWL
| Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187S/H266N/D370Y mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ... | Authors: | Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y. | Deposit date: | 2012-08-30 | Release date: | 2013-10-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction To be Published
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3VWR
| Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/R187G/H266N/D370Y mutant complexd with 6-aminohexanoate | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ... | Authors: | Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y. | Deposit date: | 2012-08-30 | Release date: | 2013-10-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction To be Published
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3VWM
| Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187A/H266N/D370Y mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ... | Authors: | Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y. | Deposit date: | 2012-08-30 | Release date: | 2013-10-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction To be Published
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3VWQ
| 6-aminohexanoate-dimer hydrolase S112A/G181D/R187A/H266N/D370Y mutant complexd with 6-aminohexanoate | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ... | Authors: | Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y. | Deposit date: | 2012-08-30 | Release date: | 2013-10-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction to be published
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3VWP
| Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/R187S/H266N/D370Y mutant complexd with 6-aminohexanoate | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ... | Authors: | Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y. | Deposit date: | 2012-08-30 | Release date: | 2013-10-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction to be published
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3VWN
| Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187G/H266N/D370Y mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ... | Authors: | Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y. | Deposit date: | 2012-08-30 | Release date: | 2013-10-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction To be Published
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6MOA
| C-terminal bromodomain of human BRD2 in complex with 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole inhibitor | Descriptor: | 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole, Bromodomain-containing protein 2, GLYCEROL | Authors: | Lansdon, E.B, Newby, Z.E.R. | Deposit date: | 2018-10-04 | Release date: | 2019-01-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.271 Å) | Cite: | Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor. Bioorg. Med. Chem., 27, 2019
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6MO7
| N-terminal bromodomain of human BRD2 with N-((4-(3-(N-cyclopentylsulfamoyl)-4-methylphenyl)-3-methylisoxazol-5-yl)methyl)acetamide inhibitor | Descriptor: | Bromodomain-containing protein 2, N-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide | Authors: | Lansdon, E.B, Newby, Z.E.R. | Deposit date: | 2018-10-04 | Release date: | 2019-01-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor. Bioorg. Med. Chem., 27, 2019
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6MO9
| N-terminal bromodomain of human BRD2 in complex with N-cyclopentyl-7-(3,5-dimethylisoxazol-4-yl)quinoline-5-sulfonamide inhibitor | Descriptor: | Bromodomain-containing protein 2, N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide | Authors: | Lansdon, E.B, Newby, Z.E.R. | Deposit date: | 2018-10-04 | Release date: | 2019-01-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor. Bioorg. Med. Chem., 27, 2019
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6MO8
| N-terminal bromodomain of human BRD2 in complex with 4,4'-(quinoline-5,7-diyl)bis(3,5-dimethylisoxazole) inhibitor | Descriptor: | 5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline, Bromodomain-containing protein 2, SULFATE ION | Authors: | Lansdon, E.B, Newby, Z.E.R. | Deposit date: | 2018-10-04 | Release date: | 2019-01-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor. Bioorg. Med. Chem., 27, 2019
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1A2X
| COMPLEX OF TROPONIN C WITH A 47 RESIDUE (1-47) FRAGMENT OF TROPONIN I | Descriptor: | CALCIUM ION, TROPONIN C, TROPONIN I | Authors: | Vassylyev, D.G, Takeda, S, Wakatsuki, S, Maeda, K, Maeda, Y. | Deposit date: | 1998-01-13 | Release date: | 1998-07-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of troponin C in complex with troponin I fragment at 2.3-A resolution. Proc.Natl.Acad.Sci.USA, 95, 1998
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3B21
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3VQV
| Crystal structure of the catalytic domain of pyrrolysyl-tRNA synthetase in complex with AMPPNP (re-refined) | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Pyrrolysine--tRNA ligase | Authors: | Yanagisawa, T, Sumida, T, Ishii, R, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2012-04-01 | Release date: | 2013-01-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A novel crystal form of pyrrolysyl-tRNA synthetase reveals the pre- and post-aminoacyl-tRNA synthesis conformational states of the adenylate and aminoacyl moieties and an asparagine residue in the catalytic site Acta Crystallogr.,Sect.D, 69, 2013
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3AOX
| X-ray crystal structure of human anaplastic lymphoma kinase in complex with CH5424802 | Descriptor: | 1,2-ETHANEDIOL, 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile, ALK tyrosine kinase receptor | Authors: | Nagel, S, Moertl, M, Jestel, A, Fukami, T.A. | Deposit date: | 2010-10-08 | Release date: | 2011-05-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | CH5424802, a selective ALK inhibitor capable of blocking the resistant gatekeeper mutant Cancer Cell, 19, 2011
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3AIB
| Crystal Structure of Glucansucrase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Glucosyltransferase-SI, ... | Authors: | Ito, K, Ito, S, Shimamura, T, Iwata, S. | Deposit date: | 2010-05-12 | Release date: | 2011-03-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Crystal structure of glucansucrase from the dental caries pathogen Streptococcus mutans. J.Mol.Biol., 408, 2011
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3AIC
| Crystal Structure of Glucansucrase from Streptococcus mutans | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CALCIUM ION, ... | Authors: | Ito, K, Ito, S, Shimamura, T, Iwata, S. | Deposit date: | 2010-05-12 | Release date: | 2011-03-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Crystal structure of glucansucrase from the dental caries pathogen Streptococcus mutans. J.Mol.Biol., 408, 2011
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3AIE
| Crystal Structure of glucansucrase from Streptococcus mutans | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Glucosyltransferase-SI | Authors: | Ito, K, Ito, S, Shimamura, T, Iwata, S. | Deposit date: | 2010-05-12 | Release date: | 2011-03-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of glucansucrase from the dental caries pathogen Streptococcus mutans. J.Mol.Biol., 408, 2011
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3VU4
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3AZ1
| Crystal Structure Analysis of Vitamin D receptor | Descriptor: | Vitamin D3 receptor, {4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetic acid | Authors: | Itoh, S, Iijima, S. | Deposit date: | 2011-05-20 | Release date: | 2011-11-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Novel nonsecosteroidal vitamin D(3) carboxylic acid analogs for osteoporosis, and SAR analysis. Bioorg.Med.Chem., 19, 2011
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3AZ2
| Crystal Structure Analysis of Vitamin D receptor | Descriptor: | 5-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}pentanoic acid, Vitamin D3 receptor | Authors: | Itoh, S, Iijima, S. | Deposit date: | 2011-05-20 | Release date: | 2011-11-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Novel nonsecosteroidal vitamin D(3) carboxylic acid analogs for osteoporosis, and SAR analysis. Bioorg.Med.Chem., 19, 2011
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3AZ3
| Crystal Structure Analysis of Vitamin D receptor | Descriptor: | (4S)-4-hydroxy-5-[4-(3-{4-[(3S)-3-hydroxy-4,4-dimethylpentyl]-3-methylphenyl}pentan-3-yl)-2-methylphenoxy]pentanoic acid, Vitamin D3 receptor | Authors: | Itoh, S, Iijima, S. | Deposit date: | 2011-05-20 | Release date: | 2011-11-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Novel nonsecosteroidal vitamin D(3) carboxylic acid analogs for osteoporosis, and SAR analysis. Bioorg.Med.Chem., 19, 2011
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